4-[3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl]piperidine

C20H24ClNO — CID 25263322

IUPAC4-[3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl]piperidine
SMILESCc1c(O[C@@H](C)c2cccc(Cl)c2)cccc1C1CCNCC1
InChIInChI=1S/C20H24ClNO/c1-14-19(16-9-11-22-12-10-16)7-4-8-20(14)23-15(2)17-5-3-6-18(21)13-17/h3-8,13,15-16,22H,9-12H2,1-2H3/t15-/m0/s1
InChIKeyASYJGQCBUDDSFS-HNNXBMFYSA-N
MW329.87 g/mol
LogP5.26
Rot. Bonds4

About 4-[3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl]piperidine

4-[3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl]piperidine (PubChem CID 25263322) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 4-[3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl]piperidine.

Molecular Properties

Compound Name4-[3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl]piperidine
PubChem CID25263322
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name4-[3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl]piperidine
SMILESCc1c(O[C@@H](C)c2cccc(Cl)c2)cccc1C1CCNCC1
InChIInChI=1S/C20H24ClNO/c1-14-19(16-9-11-22-12-10-16)7-4-8-20(14)23-15(2)17-5-3-6-18(21)13-17/h3-8,13,15-16,22H,9-12H2,1-2H3/t15-/m0/s1
InChIKeyASYJGQCBUDDSFS-HNNXBMFYSA-N
XLogP5.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.87
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl]piperidine?
The IUPAC name of 4-[3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl]piperidine (CID 25263322) is 4-[3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl]piperidine.
What is the SMILES notation for 4-[3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl]piperidine?
The canonical SMILES for 4-[3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl]piperidine is Cc1c(O[C@@H](C)c2cccc(Cl)c2)cccc1C1CCNCC1.
What is the InChIKey of 4-[3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl]piperidine?
The InChIKey is ASYJGQCBUDDSFS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24ClNO/c1-14-19(16-9-11-22-12-10-16)7-4-8-20(14)23-15(2)17-5-3-6-18(21)13-17/h3-8,13,15-16,22H,9-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-[3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl]piperidine?
4-[3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl]piperidine has a molecular weight of 329.87 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1S)-1-(3-chlorophenyl)ethoxy]-2-methylphenyl]piperidine is sourced from PubChem (CID 25263322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).